N,N'-Bis(4-bromo-phen-yl)pyridine-2,6-dicarboxamide

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their chemical behavior and potential applications.
• Crystal structure analysis provides fundamental insights into intermolecular interactions and molecular packing.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C19H19Br2N3O2.
• To investigate the molecular geometry, including dihedral angles between aromatic rings.
• To identify and characterize intermolecular interactions, such as hydrogen bonding, in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• The crystal structure was analyzed to identify symmetry elements and measure bond lengths and angles.
• Intermolecular interactions were characterized by analyzing hydrogen bond donors and acceptors.

Main Results:

• The molecule of C19H19Br2N3O2 was found to possess a twofold rotation axis.
• Significant dihedral angles were observed between the benzene and pyridine rings (8.9(2)°) and between the two benzene rings (16.4(2)°).
• Intramolecular N-H⋯N hydrogen bonding was identified, along with intermolecular N-H⋯O hydrogen bonds forming chains along the c axis.

Conclusions:

• The crystal structure of C19H19Br2N3O2 has been successfully determined.
• The observed dihedral angles and hydrogen bonding patterns provide a detailed understanding of the molecule's conformation and its assembly in the solid state.
• These findings contribute to the knowledge base of halogenated nitrogen-containing organic compounds and their crystal engineering potential.